UCSF

ZINC67509505

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.02 4.41 -15.67 0 7 0 96 285.307 6
Lo Low (pH 4.5-6) 0.02 4.86 -49.42 1 7 1 97 286.315 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.